Intermolecular proton transfer induced by excess electron attachment to adenine(formic acid)n (n = 2, 3) hydrogen-bonded complexes

Chemical Physics

Volumn 342, Issue 1-3, 2007, Pages 215-222

  Mazurkiewicz, Kamil ^a   Haranczyk, Maciej ^a   Storoniak, Piotr ^a   Gutowski, Maciej ^a,b   Rak, Janusz ^a   Radisic, Dunja ^c   Eustis, Soren N ^c   Wang, Di ^c   Bowen, Kit H ^c  

^a UNIVERSITY OF GDA SK   (Poland)

^b HERIOT WATT UNIVERSITY   (United Kingdom)

^c JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

Adenine formic acid complexes; Barrier free proton transfer; Photoelectron spectroscopy; Quantum chemical calculations; Valence bound anions

Indexed keywords

EID: 36349017117     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.10.005     Document Type: Article

References (42)

1. Sanche L. Eur. Phys. J. D 35 (2005) 367 and references cited therein
2. J. Rak, K. Mazurkiewicz, M. Kobyłecka, P. Storoniak, M. Harańczyk, I. Da{ogonek}bkowska, R.A. Bachorz, M. Gutowski, D. Radisic, S.T. Stokes, S.N. Eustis, D. Wang, X. Li, Y.J. Ko, K.H. Bowen, Stable valence anions of nucleic acid bases and DNA strand breaks induced by low energy electrons, in: M.K. Shukla, J. Leszczynski (Eds.), Radiation induced molecular phenomena in nucleic acid: a comprehensive theoretical and experimental analysis, in: J Leszczynski (Ed.), Challenges and Advances in Computational Chemistry and Physics, vol. 5, Springer, The Netherlands, and references cited therein, in press.
3. von Sonntag C. Chemical Basis of Radiation Biology (1987), Taylor and Francis, London
4. Yan M., Becker D., Summerfield S., Renke P., and Sevilla M.D. J. Phys. Chem. 96 (1992) 1983
5. Korystov Yu.N. Radiat. Res. 129 (1992) 228
6. Udovicic Lj., Mark F., and Bothe E. Radiat. Res. 146 (1996) 198
7. Simons J. Acc. Chem. Res. 39 (2006) 772
8. Svozil D., Jungwith P., and Havlas Z. Czech Chem. Commun. 69 (2004) 1395
9. Hendricks J.H., Lyapustina S.A., de Clercq H.L., and Bowen K.H. J. Chem. Phys. 108 (1998) 8
10. Gutowski M., Da{ogonek}bkowska I., Rak J., Xu S., Nilles J.M., Radisic D., and Bowen Jr. K.H. Eur. Phys. J. D 20 (2002) 431
11. Harańczyk M., Bachorz R., Rak J., Gutowski M., Radisic D., Stokes S.T., Nilles J.M., and Bowen K.H. J. Phys. Chem. B 107 (2003) 7889
12. Harańczyk M., Rak J., Gutowski M., Radisic D., Stokes S.T., Nilles J.M., and Bowen K.H. Israel J. Chem. 44 (2004) 157
13. Harańczyk M., Da{ogonek}bkowska I., Rak J., Gutowski M., Nilles J.M., Stokes S.T., Radisic D., and Bowen K.H. J. Phys. Chem. B 108 (2004) 6919
14. Da{ogonek}bkowska I., Rak J., Gutowski M., Nilles J.M., Radisic D., and Bowen Jr. K.H. J. Chem. Phys. 120 (2004) 6064
15. Da{ogonek}bkowska I., Rak J., Gutowski M., Radisic D., Stokes S.T., Nilles J.M., and Bowen Jr. K.H. Phys. Chem. Chem. Phys. 6 (2004) 4351
16. Harańczyk M., Rak J., Gutowski M., Radisic D., Stokes S.T., and Bowen K.H. J. Phys. Chem. B 109 (2005) 13383
17. Radisic D., Bowen K.H., Da{ogonek}bkowska I., Storoniak P., Rak J., and Gutowski M. J. Am. Chem. Soc. 127 (2005) 6443
18. Mazurkiewicz K., Harańczyk M., Gutowski M., Rak J., Radisic D., Eustis S.N., Wang D., and Bowen K.H. J. Am. Chem. Soc. 129 (2007) 1216
19. Mazurkiewicz K., Harańczyk M., Gutowski M., and Rak J. Int. J. Quant. Chem. 107 (2007) 2224
20. Bao X., Wang J., Gu J., and Leszczynski J. Proc. Natl. Acad. Sci. USA 103 (2006) 5658
21. Gu J., Wang J., and Leszczynski J. J. Am. Chem. Soc. 128 (2006) 9322
22. Da{ogonek}bkowska I., Rak J., and Gutowski M. Eur. Phys. J. D 35 (2005) 429
23. Seidel C.A.M., Schulz A., and Sauer M.H.M. J. Phys. Chem. 100 (1996) 5541
24. Hoffman M.M., Kharpov M.A., Cox J.C., Yao J., Tong J., and Ellington A.D. Nucleic Acid Res. 32 (2004) D174
25. Barnes J.P., and Bernhard W.A. Radiat. Res. 143 (1995) 85
26. Coe J.V., Snodgrass J.T., Freidhoff C.B., McHugh K.M., and Bowen K.H. J. Chem. Phys. 87 (1987) 4302
27. Coe J.V., Snodgrass J.T., Freidhoff C.B., McHugh K.M., and Bowen K.H. J. Chem. Phys. 84 (1986) 618
28. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
29. Gutowski M., and Chałasiński G. J. Chem. Phys. 98 (1993) 5540
30. Becke A.D. Phys. Rev. A 38 (1988) 3098
31. Becke A.D. J. Chem. Phys. 98 (1993) 5648
32. Lee C., Yang W., and Paar R.G. Phys. Rev. B 37 (1988) 785
33. Ditchfield R., Hehre W.J., and Pople J.A. J. Chem. Phys. 54 (1971) 724
34. Hehre W.J., Ditchfield R., and Pople J.A. J. Chem. Phys. 56 (1972) 2257
35. van Mourik T., Price S.L., and Clary D.C. J. Phys. Chem. A 103 (1999) 1611
36. Rienstra-Kiracofe J.C., Tschumper G.S., and Schaefer III H.F. Chem. Rev. 102 (2002) 231
37. Lynch B.J., Fast P.L., Harris M., and Truhlar D.G. J. Phys. Chem. A 104 (2000) 4811
38. Kendall R.A., Dunning Jr. T.H., and Harrison R.J. J. Chem. Phys. 96 (1992) 7696
39. Taylor P.R. In: Roos B.O. (Ed). Lecture Notes in Quantum Chemistry II (1994), Springer Verlag, Berlin
40. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford CT, 2004.
41. E. Aprà et al., NWChem, A Computational Chemistry Package for Parallel Computers, version 4.7.
42. Schaftenaar G., and Noordik J.H. J. Comput. Aided Mol. Des. 14 (2000) 123